Mode-I stress intensity factor in single layer graphene sheets

Le, Minh-Quy; Batra, R.C.

doi:10.1016/j.commatsci.2016.03.027

Cited by 38 publications

(11 citation statements)

References 36 publications

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“…The strain and strain energy per unit area were 24.6% and 4.66 J/m 2 , respectively. The results of this paper are in good agreement with those in the literature [33].…”

Section: Resultssupporting

confidence: 92%

Numerical Investigation of the Fracture Properties of Pre-Cracked Monocrystalline/Polycrystalline Graphene Sheets

Guo

2019

Materials

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The fracture properties of pre-cracked monocrystalline/polycrystalline graphene were investigated via a finite element method based on molecular structure mechanics, and the mode I critical stress intensity factor (SIF) was calculated by the Griffith criterion in classical fracture mechanics. For monocrystalline graphene, the size effects of mode I fracture toughness and the influence of crack width on the mode I fracture toughness were investigated. Moreover, it was found that the ratio of crack length to graphene width has a significant influence on the mode I fracture toughness. For polycrystalline graphene, the strain energy per unit area at different positions was calculated, and the initial fracture site (near grain boundary) was deduced from the variation tendency of the strain energy per unit area. In addition, the effects of misorientation angle of the grain boundary (GB) and the distance between the crack tip and GB on mode I fracture toughness were also analyzed. It was found that the mode I fracture toughness increases with increasing misorientation angle. As the distance between the crack tip and GB increases, the mode I fracture toughness first decreases and then tends to stabilize.

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“…The strain and strain energy per unit area were 24.6% and 4.66 J/m 2 , respectively. The results of this paper are in good agreement with those in the literature [33].…”

Section: Resultssupporting

confidence: 92%

Numerical Investigation of the Fracture Properties of Pre-Cracked Monocrystalline/Polycrystalline Graphene Sheets

Guo

2019

Materials

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“…Concluding, the concept of SIF is still surprisingly valid if the atoms are modeled, and static crack and ideal brittle material containing no other defects are considered. This result also agrees well with conclusions made by other authors [30]. Provided that the virial stress is affectively accepted as representative of atomic stress, crack tip region stress field of molecular system may be described by continuum-based SIF concept.…”

Section: (B) (A)supporting

confidence: 92%

Some Considerations on Stress Intensity Factor at Atomic Scale

Gallo

2020

Structural Integrity

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This work reviews recent molecular statistics (MS) numerical experiments of cracked samples, and discusses the crack-tip region stress field of ideal brittle materials. Continuum-based linear elastic fracture mechanics, indeed, breaks down at extremely small scale, where the discrete nature of atoms is considered. Surprisingly, recent results have shown that the concept of stress intensity factor (SIF) is still valid. In this work, by means of MS simulations on single-edge cracked samples of ideal brittle silicon, it is shown that the stress intensity factor derived from the virial stress may be useful to describe the fracture at extremely small dimensions and to quantify the breakdown of continuum-based linear elastic fracture mechanics. However, it is still debated whether a continuum-based concept such as the "stress" should be applied to a system made of atoms.

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“…Mechanical properties are among the most critical properties of any material for the design of nanodevices [44][45][46][47][48][49][50][51][52][53][54]. We finally study the mechanical properties of boron monochalcogenides predicted in this work.…”

Section: Structurementioning

confidence: 95%

Boron Monochalcogenides; Stable and Strong Two-Dimensional Wide Band-Gap Semiconductors

Mortazavi

Rabczuk

2018

Energies

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In this short communication, we conducted first-principles calculations to explore the stability of boron monochalcogenides (BX, X = S, Se or Te), as a new class of two-dimensional (2D) materials. We predicted BX monolayers with two different atomic stacking sequences of ABBA and ABBC, referred in this work to 2H and 1T, respectively. Analysis of phonon dispersions confirm the dynamical stability of BX nanosheets with both 2H and 1T atomic lattices. Ab initio molecular dynamics simulations reveal the outstanding thermal stability of all predicted monolayers at high temperatures over 1500 K. BX structures were found to exhibit high elastic modulus and tensile strengths. It was found that BS and BTe nanosheets can show high stretchability, comparable to that of graphene. It was found that all predicted monolayers exhibit semiconducting electronic character, in which 2H structures present lower band gaps as compared with 1T lattices. The band-gap values were found to decrease from BS to BTe. According to the HSE06 results, 1T-BS and 2H-BTe show, respectively, the maximum (4.0 eV) and minimum (2.06 eV) electronic band gaps. This investigation introduces boron monochalcogenides as a class of 2D semiconductors with remarkable thermal, dynamical, and mechanical stability.

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Mode-I stress intensity factor in single layer graphene sheets

Cited by 38 publications

References 36 publications

Numerical Investigation of the Fracture Properties of Pre-Cracked Monocrystalline/Polycrystalline Graphene Sheets

Numerical Investigation of the Fracture Properties of Pre-Cracked Monocrystalline/Polycrystalline Graphene Sheets

Some Considerations on Stress Intensity Factor at Atomic Scale

Boron Monochalcogenides; Stable and Strong Two-Dimensional Wide Band-Gap Semiconductors

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